SCHEMBL8319110

SCHEMBL8319110

O=C(O)c1ccc(/C=C/c2ccc(O)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.59
NFE2L2 Q16236 3/20 0.50
TTR P02766 2/20 0.50
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
KCNH2 Q12809 2/20 0.48
LCK P06239 1/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
TYR P14679 1/20 0.46
DRD1 P21728 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5693326 1.00 MIF (0.59) MIFNFE2L2TTRHTR2AHTR2C
SCHEMBL14156913 0.84 TYR (0.59) TTRLCKCA2CA12CA1
SCHEMBL14156911 0.84 TYR (0.59) TTRLCKCA2CA12CA1
SCHEMBL12590049 0.82 CA2 (0.51) MIFCA2CA12CA1CA3
SCHEMBL5692715 0.81 TTR (0.72) TTRLCKCA2CA12CA1
SCHEMBL5693297 0.81 NPC1 (0.63) TTRLCKCA2CA12CA1
SCHEMBL22887367 0.81 RARA (0.57) TTRLCKCA2CA12CA1
SCHEMBL5693299 0.81 NPC1 (0.63) TTRLCKCA2CA12CA1
SCHEMBL5692713 0.81 TTR (0.72) TTRLCKCA2CA12CA1
SCHEMBL22553033 0.81 NFE2L2 (0.55) NFE2L2TTRHTR2AHTR2CKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5989758-A EXHIBIT A LIQUID CRYSTALLINE PHASE AT TIME OF FUSION, WHICH CAN BE FIXED UPON COOLING BELOW THE LIQUID CRYSTALLINE TRANSITION TEMPERATURE; SPECIFIC MONOMERS 4,4'-STILBENEDIOLS, CATECHOLS, AND 4'-HYDROXY-4-STILBENECARBOXYLIC ACIDS NIPPON OIL COMPANY, LIMITED (JP) 1999-11-23 US disclosed
EP-0905164-A2 Liquid crystalline polyesters, their composition, and their uses NIPPON OIL CO., LTD. (JP) 1999-03-31 EP disclosed